SCHEMBL9812591

SCHEMBL9812591

CCCCCCCCCCCCc1cccc(C(=O)O)c1.[Zn]

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
RARA P10276 1/20 0.58
MAPT P10636 1/20 0.58
MTOR P42345 1/20 0.58
KMT2A Q03164 1/20 0.58
PPARA Q07869 3/20 0.57
PPARG P37231 2/20 0.57
KAT8 Q9H7Z6 2/20 0.55
LPL P06858 1/20 0.54
LIPG Q9Y5X9 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL289254 0.98 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL27414335 0.98 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL11442846 0.98 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL15174619 0.98 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL15766204 0.98 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL1876486 0.98 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL443913 0.97 RARB (0.58) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL31124111 0.92 FOLH1 (0.58) RARBPPARAPPARG
SCHEMBL3387825 0.92 FOLH1 (0.58) RARBPPARAPPARG
SCHEMBL9789538 0.90 PPARA (0.65) MAPTPPARAPPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273173-B1 PROCESS FOR THE PREPARATION OF FATTY ACID NITRILES AND GLYCERIN FROM GLYCERIDES HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 EP disclosed
US-4801730-A Process for the preparation of fatty acid nitriles and glycerol from glycerides HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-31 US disclosed
EP-0273173-A2 Process for the preparation of fatty acid nitriles and glycerin from glycerides HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-06 EP disclosed